J033-0193 Screening compound: 2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

J033-0193 Screening compound: 2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
J033-0193 Screening compound: 2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J033-0193
2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J033-0193

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

IUPAC name

2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CSc1nc2ccccc2c(O)n1)=O

InChI

InChI=1S/C18H17N3O2S/c1-12(13-7-3-2-4-8-13)19-16(22)11-24-18-20-15-10-6-5-9-14(15)17(23)21-18/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21,23)/t12-/m0/s1

InChI Key

FBLJEDPGYDQXTF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD12965369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.20

Polar Surface Area

57.570

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

J033-0193 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J033-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J033-0193?
Check Price and Availability of J033-0193, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J033-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J033-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J033-0193
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J033-0193 available by request